2-hydroxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-hydroxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-hydroxyethyl 5-(benzenesulfonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-(benzenesulfonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 5-(benzenesulfonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-besyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-hydroxyethyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)S(=O)(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCO

Isomeric SMILES

CC1=C(C(C(=C(N1)C)S(=O)(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCO

InChI

InChI=1S/C22H22N2O7S/c1-14-19(22(26)31-12-11-25)20(16-7-6-8-17(13-16)24(27)28)21(15(2)23-14)32(29,30)18-9-4-3-5-10-18/h3-10,13,20,23,25H,11-12H2,1-2H3